9WNA

[M322I] Menin complexed with DSP-5336

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95374
Spacegroup name	P 21 21 21
Unit cell lengths	58.701, 86.058, 201.892
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.540 - 2.000
R-factor	0.17475
Rwork	0.173
R-free	0.21241
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e90
RMSD bond length	0.009
RMSD bond angle	1.578
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.540	2.000
High resolution limit [Å]	1.960	1.960
Number of reflections	74120	4506
<I/σ(I)>	14.4
Completeness [%]	99.7
Redundancy	13.6
CC(1/2)	0.998	0.769

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	18%(w/v) PEG3350, 0.2M POTASIUM THIOCYANATE, 0.1M MES PH=6.0, 20%(v/v) ETHYLENE GLYCOL, PH 6.0